PUBCHEM-ZINC05131749

MMsINC code: MMs03206626

• Type: Ionized
• Formula: C₃H₆O₅P-
• SMILES: [PH](O)(=O)CC(O)C(=O)[O-]
• InChI: InChI=1/C3H7O5P/c4-2(3(5)6)1-9(7)8/h2,4,9H,1H2,(H,5,6)(H,7,8)/p-1/t2-/m0/s1

Potential Energy
Epot(MMFF94)=-2.87027 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 153.05 g/mol
• logS: 0.32328
• SlogP: -3.506
• Reactive groups: 0

Topological Properties

• Globularity: 0.131391
• Sterimol/B1: 2.54895
• Sterimol/B2: 3.34476
• Sterimol/B3: 3.36036
• Sterimol/B4: 3.80261
• Sterimol/L: 10.054

Surface and Volume Properties

• Accessible surface: 296.125
• Positive charged surface: 127.023
• Negative charged surface: 169.102
• Volume: 110.875
• Hydrophobic surface: 79.3513
• Hydrophilic surface: 216.7737

Pharmacophoric Properties

• Hydrogen bond donors: 3
• Hydrogen bond acceptors: 3
• Acid groups: 2
• Basic groups: 0
• Chiral centers: 2

Drug- and Lead-like Properties

• Lipinski's drug-like rule: 1
• Violations of Lipinski's rule: 0
• Oprea's lead like rule: 1